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Receptor
PDB id Resolution Class Description Source Keywords
1PKK 1.77 Å EC: 3.6.1.23 STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNC DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII DCTP DEAMINASE DUTPASE DCD-DUT MJ0430 DCTP DUTP HYDROL
Ref.: STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY T BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHAN JANNASCHII J.MOL.BIOL. V. 331 885 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCP B:293;
Valid;
none;
submit data
467.157 C9 H16 N3 O13 P3 C1[C@...
EDO A:294;
A:296;
A:298;
B:295;
B:297;
B:299;
B:300;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PKK 1.77 Å EC: 3.6.1.23 STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNC DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII DCTP DEAMINASE DUTPASE DCD-DUT MJ0430 DCTP DUTP HYDROL
Ref.: STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY T BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHAN JANNASCHII J.MOL.BIOL. V. 331 885 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1PKK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
2 1PKJ - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1PKK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
2 1PKJ - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1PKK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCP; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 DCP 1 1
2 YYY 0.884058 1
3 DC 0.760563 0.985714
4 DCM 0.760563 0.985714
5 DUT 0.609756 0.929577
6 CTP 0.609756 0.90411
7 HF4 0.609756 0.90411
8 LDC 0.605634 0.847222
9 DCZ 0.605634 0.847222
10 GTF 0.581395 0.891892
11 TTP 0.55814 0.891892
12 6U4 0.554348 0.921053
13 CDP 0.535714 0.90411
14 DUD 0.52381 0.929577
15 GCQ 0.511364 0.891892
16 8DG 0.505263 0.875
17 TYD 0.477273 0.891892
18 CPA 0.468468 0.85
19 DOC 0.464286 0.957747
20 7XL 0.462366 0.88
21 CXY 0.46 0.88
22 CGP 0.452174 0.841463
23 C2G 0.447917 0.891892
24 CAR 0.447059 0.890411
25 C 0.447059 0.890411
26 C5P 0.447059 0.890411
27 CDM 0.44 0.858974
28 C5G 0.435644 0.855263
29 8GD 0.43299 0.875
30 DTP 0.43299 0.831169
31 DU 0.430233 0.915493
32 UMP 0.430233 0.915493
33 CDC 0.43 0.77381
34 DGT 0.43 0.848101
35 DG DC 0.416 0.851852
36 TLO 0.415842 0.844156
37 DUP 0.414894 0.90411
38 UTP 0.413043 0.849315
39 0FX 0.411215 0.835443
40 8DD 0.41 0.835443
41 HF7 0.405941 0.820513
42 T3Q 0.40566 0.835443
43 T3F 0.40566 0.835443
44 C3P 0.402299 0.876712
45 C2P 0.402299 0.916667
46 DDN 0.402299 0.915493
47 DC DG 0.4 0.819277
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PKK; Ligand: DCP; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 1pkk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX0 ALA LYS ALA ILE ALA 1.15607
2 4NFE BEN 2.45098
3 4DS0 A2G GAL NAG FUC 4.29448
4 1U26 IHS 4.41176
5 2HHP FLC 10.7843
6 5CCO UMP 14.7059
7 1XS1 DUT 48.1865
Pocket No.: 2; Query (leader) PDB : 1PKK; Ligand: DCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1pkk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PKK; Ligand: DCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pkk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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